N-[(E)-1-(3-bromophenyl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
Formula:C24H17N2O3Br
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(E)-1-(3-bromophenyl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is not a drug-like molecule.
| MolName | N-[(E)-1-(3-bromophenyl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide |
| MolecularFormula | C24H17N2O3Br |
| Smiles | O=C(/C(/NC(c1ccco1)=O)=C\c1cccc(Br)c1)Nc1cc2ccccc2cc1 |
| InChI | InChI=1S/C24H17BrN2O3/c25-19-8-3-5-16(13-19)14-21(27-24(29)22-9-4-12-30-22)23(28)26-20-11-10-17-6-1-2-7-18(17)15-20/h1-15H,(H,26,28)(H,27,29) |
| InChIK | LJGXOTVZHXWBKQ-UHFFFAOYSA-N |
| TotalMolweight | 461.314 |
| Molweight | 461.314 |
| MonoisotopicMass | 460.042254 |
| CLogP | 5.5321 |
| CLogS | -6.995 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 318.83 |
| Relative PSA | 0.19794 |
| PolarSurfaceArea | 71.34 |
| Druglikeness | 1.0266 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Amides | 2 |
| StereoCon |
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